SCHEMBL10333750

SCHEMBL10333750

COc1ccc2nc3[nH]nc(N)c3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.54
▸ PDE3A Q14432 3/20 0.54
▸ NCF1 P14598 1/20 0.51
▸ PDE2A O00408 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ILK Q13418 2/20 0.46
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ NQO1 P15559 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CDK2 P24941 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2090637 0.88 NCF1 (0.47) PDE3BPDE3ANCF1KDM4EALDH1A1
SCHEMBL10333403 0.78 PDE3B (0.51) PDE3BPDE3AKDM4EALDH1A1POLB
SCHEMBL10334229 0.76 PDE3B (0.50) PDE3BPDE3AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7257484 0.75 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2ILKMEN1
SCHEMBL10333619 0.74 GAA (0.57) PDE3BPDE3APDE2AKDM4EALDH1A1
SCHEMBL4865999 0.74 NCF1 (0.61) PDE3BPDE3ANCF1PDE2AKDM4E
SCHEMBL10334199 0.72 NCF1 (0.47) PDE3BPDE3ANCF1KDM4EALDH1A1
SCHEMBL25366182 0.72 GAA (0.58) PDE3BPDE3AKDM4EALDH1A1POLB
SCHEMBL17942624 0.72 KDM4E (0.60) PDE3BPDE3ANCF1PDE2AKDM4E
SCHEMBL31414248 0.72 KDM4E (0.63) PDE3BPDE3ANCF1PDE2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920128-A TREATMENT OF HERPES VIRUS STERLING DRUG INC. (US) 1990-04-24 — — US claimed
US-4921950-A Preparation of 3'azido-3-'-deoxythymidine BURROUGHS WELLCOME CO. (US) 1990-05-01 — — US disclosed
US-4920128-A TREATMENT OF HERPES VIRUS STERLING DRUG INC. (US) 1990-04-24 — — US disclosed
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